(3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid

C17H32N2O4 — CID 88669652

IUPAC(3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid
SMILESCC(C)(C)C1CCCC1CCC(N)C(O)N[C@@H](C=O)CC(=O)O
InChIInChI=1S/C17H32N2O4/c1-17(2,3)13-6-4-5-11(13)7-8-14(18)16(23)19-12(10-20)9-15(21)22/h10-14,16,19,23H,4-9,18H2,1-3H3,(H,21,22)/t11?,12-,13?,14?,16?/m1/s1
InChIKeyZQETYRGLBSSONC-ZLOJBABVSA-N
MW328.45 g/mol
LogP1.51
Rot. Bonds9

About (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid

(3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid (PubChem CID 88669652) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid
PubChem CID88669652
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name(3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid
SMILESCC(C)(C)C1CCCC1CCC(N)C(O)N[C@@H](C=O)CC(=O)O
InChIInChI=1S/C17H32N2O4/c1-17(2,3)13-6-4-5-11(13)7-8-14(18)16(23)19-12(10-20)9-15(21)22/h10-14,16,19,23H,4-9,18H2,1-3H3,(H,21,22)/t11?,12-,13?,14?,16?/m1/s1
InChIKeyZQETYRGLBSSONC-ZLOJBABVSA-N
XLogP1.51
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-amino-4-[[4-(2-tert-butylcyclopentyl)-1-methoxy-1-oxobut-2-en-2-yl]amino]-4-oxobutanoic acid
CID 54123717
(3S)-3-[[2-amino-2-cyclopropyl-1-(2,5-dimethylcyclopentyl)ethyl]amino]-4-oxobutanoic acid
CID 88683601
(3S)-3-[[1-(2-amino-2-methylpropoxy)-2,5-dimethylcyclopentyl]amino]-4-oxobutanoic acid
CID 57322954
(3R,4S)-3-amino-7-cyclobutyl-4-methylheptanoic acid
CID 68869099
ethane;(3S)-3-(methylamino)-4-oxobutanamide;methylcyclobutane
CID 160748270
(3S)-3-[[1-amino-1-cyclopropyl-3-(1-propan-2-ylcyclopropyl)propan-2-yl]amino]-4-oxobutanoic acid
CID 88683287
(3S,6R)-3-amino-8-cyclobutyl-6-methyloctanoic acid
CID 68869260
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622
(3S)-3-amino-4-[[(2R)-3-(2-tert-butylcyclohexyl)sulfanyl-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18606319
(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473
(3R)-3-[[2-amino-4-(2,5-dimethylcyclopentyl)-2-methylbut-3-enyl]amino]-4-oxobutanoic acid
CID 173409661
(3S)-3-[[1-(2-aminopropoxy)-2,5-dimethylcyclopentyl]amino]-4-oxobutanoic acid
CID 57001204

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid?
The IUPAC name of (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid (CID 88669652) is (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid is CC(C)(C)C1CCCC1CCC(N)C(O)N[C@@H](C=O)CC(=O)O.
What is the InChIKey of (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid?
The InChIKey is ZQETYRGLBSSONC-ZLOJBABVSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-17(2,3)13-6-4-5-11(13)7-8-14(18)16(23)19-12(10-20)9-15(21)22/h10-14,16,19,23H,4-9,18H2,1-3H3,(H,21,22)/t11?,12-,13?,14?,16?/m1/s1.
What are the key properties of (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid?
(3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid has a molecular weight of 328.45 g/mol, XLogP of 1.51, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-amino-4-(2-tert-butylcyclopentyl)-1-hydroxybutyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 88669652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).